Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 3/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6554966 | 1.00 | NQO2 (0.44) | NQO2ALDH1A1ABCG2PDE4APDE4B | |
| SCHEMBL24554791 | 0.82 | CES2 (0.58) | ALDH1A1ABCG2PDE4APDE4BPDE4C | |
| SCHEMBL3071944 | 0.80 | NQO2 (0.53) | NQO2ALDH1A1KDM4EPTGS1 | |
| SCHEMBL4962948 | 0.80 | NQO2 (0.53) | NQO2ALDH1A1KDM4EPTGS1 | |
| SCHEMBL9520221 | 0.80 | NQO2 (0.53) | NQO2ALDH1A1KDM4EPTGS1 | |
| SCHEMBL28235566 | 0.72 | TPMT (0.44) | ALDH1A1GAAKMT2A | |
| SCHEMBL6555550 | 0.72 | TPMT (0.44) | ALDH1A1GAAKMT2A | |
| SCHEMBL6555554 | 0.72 | TPMT (0.44) | ALDH1A1GAAKMT2A | |
| SCHEMBL6553870 | 0.72 | NQO2 (0.44) | NQO2ALDH1A1ABCG2PDE4APDE4B | |
| SCHEMBL6553874 | 0.72 | NQO2 (0.44) | NQO2ALDH1A1ABCG2PDE4APDE4B |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1149067-B1 | 7-ARYL-6(Z)HEPTATRIENOIC ACID RETINAMIDES AS APOPTOSIS INDUCING COMPOUNDS AND THEIR USE AS ANTI-CANCER AGENTS | HOFFMANN LA ROCHE (CH) | 2004-02-25 | — | — | EP | disclosed |
| EP-1149067-A1 | 7-ARYL-6(Z)HEPTATRIENOIC ACID RETINAMIDES AS APOPTOSIS INDUCING COMPOUNDS AND THEIR USE AS ANTI-CANCER AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-10-31 | — | — | EP | disclosed |
| US-6310247-B1 | HAS APOPTOTIC ACTIVITY USEFUL FOR PROPHYLAXIS AND THERAPY OF CANCER | HOFFMANN-LA ROCHE INC. | 2001-10-30 | — | — | US | disclosed |
| WO-2000035856-A1 | 7-ARYL-6(Z)HEPTATRIENOIC ACID RETINAMIDES AS APOPTOSIS INDUCING COMPOUNDS AND THEIR USE AS ANTI-CANCER AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2000-06-22 | — | — | WO | disclosed |